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Compound Detail

CHEMBL5196301

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C=CCn1c2ccccc2c2c(C(=O)NC3CCCCC3)c3cc(F)ccc3nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196301
Phase Preclinical
Structure Type MOL
InChI Key YSTWVLMATBFDRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.73
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24FN3O
MW 401.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
34710743 10.1016/j.ejmech.2021.113938 A549 1
34710743 10.1016/j.ejmech.2021.113938 MCF7 1
34710743 10.1016/j.ejmech.2021.113938 HeLa 1
34710743 10.1016/j.ejmech.2021.113938 DU-145 1

Data from ChEMBL 36 via Core Engine